general basis set input

[Tatiana Korona]

On Fri, 31 Aug 2001, Charles Edwin Webster wrote:

> other molpro users,
> 
> i've been trying to get the basis set input for different
> basis sets on the same kind of element to work (pages
> 61, 62, and 70 of the manual), and i have been
> unsuccessful.
> 
> 
> the input file:
> ***,n2
> memory,1,M;
>  geomtyp=xyz;
>  geometry={angstrom;
> 2
> mcc format
> N1   0.0000000000    0.0000000000     1.00000000000
> N2   0.0000000000    0.0000000000     2.09000000000
> }
> 
> basis
>  sp,1,dz
>  spd,2,dzp
> end
> 
> nelec=14
> int


Switch off symmetry. N1(dz) and N2(dzp) are not equivalent anymore!

Tatiana Korona